Formula is incorrect for charged compounds

[tsufz]

The validator catch for example:

Formula from CH$IUPAC: [C27H42NO2]+ (estimated by validator)
Formula from CH$FORMULA: C27H42NO2 (used in record)

for Benzethonium.

Should be correct as the smiles is correctly annotated.

[tsufz]

See comment by @meier-rene in MassBank/MassBank-data#237 (comment) how the validator handles smiles, iupac, formulas.

[tsufz]

@sneumann, @meowcat and @schymane, any opinion on @meier-rene 's suggestions?

[schymane]

@schymane is in poor connectivity and unable to comment with traces/comments now spread across multiple issues. Seems there are inconsistencies with how major resources/ toolkits handle this and we should decide how to deal with this carefully.